4-Acetamido-3-(2-nitroethyl)benzoic acid
4-acetamido-3-(2-nitroethyl)benzoic acid
Also Known As: Benzoic Acid deriv. 130|BDBM4709|4-acetamido-3-(2-nitroethyl)benzoic acid|4-(Acetylamino)-3-(2-nitroethyl)benzoic acid|Benzoic acid, 4-(acetylamino)-3-(2-nitroethyl)-
CAS: 199535-22-3
| Molecular Formula | C11H12N2O5 |
|---|---|
| Molecular Weight | 252.07462 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.07462 |
| Monoisotopic Mass | 252.07462 |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 199535-22-3 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C=C1)C(=O)O)CC[N+](=O)[O-] |
| InChIKey | MOSSPTSCEXMSPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Pharmaceutical Intermediates (5 patents)
Product Overview
4-Acetamido-3-(2-nitroethyl)benzoic acid (CAS 199535-22-3), with molecular formula C11H12N2O5 and molecular weight 252.07462 g/mol. IUPAC: 4-acetamido-3-(2-nitroethyl)benzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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